""" STER-GI Idea 3: Denoise-to-Sibling (去噪造兄弟) ================================================ - Train unconditional diffusion on ALL building property vectors (no labels) - Generate "sibling" buildings via SDEdit (partial noise + denoise) - Contrastive learning on (original, sibling) pairs - Zero-shot evaluation on test pairs: encode → cosine sim → threshold → match Baselines: - real-only (raw property cosine): no training at all - Idea 3 (denoise-to-sibling): diffusion + contrastive """ import os, sys, time, warnings, argparse import numpy as np import joblib, pickle as pkl import torch, torch.nn as nn, torch.nn.functional as F from torch.utils.data import DataLoader, TensorDataset from sklearn.preprocessing import StandardScaler from sklearn.metrics import precision_score, recall_score, f1_score, average_precision_score from collections import defaultdict warnings.filterwarnings("ignore") # ============================================================ # Config # ============================================================ PROPERTY_NAMES = [ "bounding_box_width", "bounding_box_length", "area", "perimeter", "perimeter_ind", "volume", "convex_hull_area", "convex_hull_volume", "ave_centroid_distance", "height_diff", "num_floors", "axes_symmetry", "compactness_2d", "compactness_3d", "density", "elongation", "shape_ind", "hemisphericality", "fractality", "cubeness", "circumference", "aligned_bounding_box_width", "aligned_bounding_box_length", "aligned_bounding_box_height", "num_vertices" ] CFG = { 'diffusion_steps': 1000, 'diffusion_hidden': 256, 'diffusion_layers': 4, 'diffusion_epochs': 500, 'diffusion_lr': 1e-3, 'diffusion_batch_size': 512, # SDEdit: how much noise to add (0=none, 1000=full) 'sdedit_t0': 200, 'num_siblings': 3, # Encoder 'encoder_hidden': 128, 'encoder_dim': 64, 'contrastive_epochs': 200, 'contrastive_lr': 1e-3, 'contrastive_temp': 0.07, 'contrastive_batch': 1024, # Eval: threshold sweep 'eval_thresholds': [0.5, 0.6, 0.7, 0.75, 0.8, 0.85, 0.9, 0.92, 0.95, 0.97, 0.99], 'device': 'cuda' if torch.cuda.is_available() else 'cpu', } # ============================================================ # Data: Extract property vectors # ============================================================ def extract_vectors(prop_dict, source, id_list=None): """Extract property matrix for given source ('cands'/'index') and optional id filter""" first_prop = PROPERTY_NAMES[0] all_ids = list(prop_dict[first_prop][source].keys()) if id_list is None else id_list X = np.zeros((len(all_ids), len(PROPERTY_NAMES)), dtype=np.float32) valid_ids = [] for i, bid in enumerate(all_ids): vec = [] ok = True for pname in PROPERTY_NAMES: val = prop_dict[pname][source].get(bid, None) if val is None or (isinstance(val, float) and np.isnan(val)): val = 0.0 vec.append(float(val)) X[i] = vec valid_ids.append(bid) return X, valid_ids def load_all_train_vectors(seed): """Load property vectors for ALL training buildings (both cands and index)""" train_path = (f"data/property_dicts/Hague_allmodels_v1_train_matching_medium_" f"neg_samples_num=2_vector_normalization=True_seed={seed}.joblib") prop = joblib.load(train_path) X_cands, ids_cands = extract_vectors(prop, 'cands') X_index, ids_index = extract_vectors(prop, 'index') X = np.concatenate([X_cands, X_index], axis=0) all_ids = ids_cands + ids_index print(f"Loaded {len(X)} train building vectors ({len(X_cands)} cands + {len(X_index)} index)") return X, all_ids, prop def load_test_pairs(seed): """Load test pairs with labels: list of (cand_id, index_id, label)""" test_path = (f"data/property_dicts/Hague_allmodels_v1_test_matching_medium_" f"neg_samples_num=2_vector_normalization=True_seed={seed}.joblib") prop = joblib.load(test_path) partition = pkl.load(open(f"data/dataset_partitions/Hague_seed{seed}.pkl", 'rb')) test_pairs = partition['test']['matching']['negative_sampling']['medium'][2] # Build cand/index ID -> vector mappings cand_map = {} for bid in prop[PROPERTY_NAMES[0]]['cands'].keys(): vec = [] for pname in PROPERTY_NAMES: val = prop[pname]['cands'].get(bid, None) if val is None or (isinstance(val, float) and np.isnan(val)): val = 0.0 vec.append(float(val)) cand_map[bid] = np.array(vec, dtype=np.float32) index_map = {} for bid in prop[PROPERTY_NAMES[0]]['index'].keys(): vec = [] for pname in PROPERTY_NAMES: val = prop[pname]['index'].get(bid, None) if val is None or (isinstance(val, float) and np.isnan(val)): val = 0.0 vec.append(float(val)) index_map[bid] = np.array(vec, dtype=np.float32) cand_vecs, index_vecs, labels = [], [], [] for cid, iid in test_pairs: if cid in cand_map and iid in index_map: cand_vecs.append(cand_map[cid]) index_vecs.append(index_map[iid]) labels.append(1 if cid == iid else 0) cand_vecs = np.array(cand_vecs, dtype=np.float32) index_vecs = np.array(index_vecs, dtype=np.float32) labels = np.array(labels, dtype=np.int32) print(f"Test pairs: {len(labels)} ({labels.sum()} pos, {(1-labels).sum()} neg)") return cand_vecs, index_vecs, labels # ============================================================ # Diffusion Model (DDPM on property vectors) # ============================================================ class MLPDiffusion(nn.Module): def __init__(self, dim, hidden=256, layers=4): super().__init__() self.time_embed = nn.Sequential( nn.Linear(1, hidden), nn.SiLU(), nn.Linear(hidden, hidden)) net = [nn.Linear(dim + hidden, hidden), nn.SiLU()] for _ in range(layers - 1): net += [nn.Linear(hidden, hidden), nn.SiLU()] net.append(nn.Linear(hidden, dim)) self.net = nn.Sequential(*net) def forward(self, x, t): t_emb = self.time_embed(t.unsqueeze(-1).float()) return self.net(torch.cat([x, t_emb], dim=-1)) class DiffusionScheduler: def __init__(self, steps=1000, beta_start=1e-4, beta_end=0.02): self.steps = steps self.betas = torch.linspace(beta_start, beta_end, steps) self.alphas = 1 - self.betas self.alpha_bars = torch.cumprod(self.alphas, dim=0) def add_noise(self, x0, t): ab = self.alpha_bars[t].view(-1, 1) noise = torch.randn_like(x0) return torch.sqrt(ab) * x0 + torch.sqrt(1 - ab) * noise, noise @torch.no_grad() def denoise_step(self, model, xt, t): """Single DDPM reverse step""" a = self.alphas[t].view(-1, 1) ab = self.alpha_bars[t].view(-1, 1) b = self.betas[t].view(-1, 1) eps = model(xt, t.float()) x0_hat = (xt - torch.sqrt(1 - ab) * eps) / torch.sqrt(a) if t.min() == 0: return x0_hat ab_prev = self.alpha_bars[t - 1].view(-1, 1) mean = (torch.sqrt(ab_prev) * b / (1 - ab) * x0_hat + torch.sqrt(a) * (1 - ab_prev) / (1 - ab) * xt) var = b * (1 - ab_prev) / (1 - ab) return mean + torch.sqrt(var) * torch.randn_like(xt) @torch.no_grad() def sdedit(self, model, x0, t0, device): """Add noise to t0, then denoise back → sibling""" n = x0.shape[0] t0_t = torch.full((n,), t0, device=device, dtype=torch.long) ab_t0 = self.alpha_bars[t0] noise = torch.randn_like(x0) xt = torch.sqrt(ab_t0) * x0 + torch.sqrt(1 - ab_t0) * noise for t in range(t0, -1, -1): tb = torch.full((n,), t, device=device, dtype=torch.long) xt = self.denoise_step(model, xt, tb) return xt # ============================================================ # Contrastive Encoder # ============================================================ class BuildingEncoder(nn.Module): def __init__(self, dim, hidden=128, out_dim=64): super().__init__() self.net = nn.Sequential( nn.Linear(dim, hidden), nn.BatchNorm1d(hidden), nn.ReLU(), nn.Linear(hidden, hidden), nn.BatchNorm1d(hidden), nn.ReLU(), nn.Linear(hidden, out_dim)) def forward(self, x): return F.normalize(self.net(x), dim=-1) def info_nce_loss(embs, temp=0.07): """embs: [2B, D] where (0,1), (2,3)... are positives""" n = embs.shape[0] // 2 sim = embs @ embs.T / temp # Mask self sim = sim.masked_fill(torch.eye(2 * n, device=embs.device, dtype=torch.bool), -1e9) # Labels: for row i, positive is i^1 (flip last bit) labels = torch.arange(2 * n, device=embs.device) labels = labels ^ 1 # (0->1, 1->0, 2->3, 3->2, ...) return F.cross_entropy(sim, labels) # ============================================================ # Training # ============================================================ def train_diffusion(X, device): print("\n" + "=" * 50) print("Stage 1: Train Diffusion on Building Vectors") print("=" * 50) dim = X.shape[1] model = MLPDiffusion(dim, CFG['diffusion_hidden'], CFG['diffusion_layers']).to(device) sched = DiffusionScheduler(CFG['diffusion_steps']) sched.betas = sched.betas.to(device) sched.alphas = sched.alphas.to(device) sched.alpha_bars = sched.alpha_bars.to(device) opt = torch.optim.Adam(model.parameters(), lr=CFG['diffusion_lr']) ds = TensorDataset(torch.FloatTensor(X)) dl = DataLoader(ds, batch_size=CFG['diffusion_batch_size'], shuffle=True) model.train() for ep in range(CFG['diffusion_epochs']): total = 0 for (xb,) in dl: xb = xb.to(device) bs = xb.shape[0] t = torch.randint(0, CFG['diffusion_steps'], (bs,), device=device) xt, noise = sched.add_noise(xb, t) loss = F.mse_loss(model(xt, t.float()), noise) opt.zero_grad() loss.backward() opt.step() total += loss.item() * bs if (ep + 1) % 100 == 0: print(f" Epoch {ep+1}/{CFG['diffusion_epochs']} | Loss: {total/len(ds):.6f}") print(f" Done. Final loss: {total/len(ds):.6f}") return model, sched def generate_siblings(model, sched, X, device): print("\n" + "=" * 50) print(f"Stage 2: Generate Siblings (t0={CFG['sdedit_t0']})") print("=" * 50) model.eval() origs, sibs = [], [] bs = CFG['diffusion_batch_size'] for i in range(0, len(X), bs): xb = torch.FloatTensor(X[i:i+bs]).to(device) for _ in range(CFG['num_siblings']): sib = sched.sdedit(model, xb, CFG['sdedit_t0'], device) origs.append(xb.cpu().numpy()) sibs.append(sib.cpu().numpy()) origs = np.concatenate(origs, axis=0) sibs = np.concatenate(sibs, axis=0) l2 = np.mean(np.linalg.norm(origs - sibs, axis=1)) print(f" Generated {len(origs)} pairs | Mean L2 diff: {l2:.4f}") return origs, sibs def train_encoder(origs, sibs, device): print("\n" + "=" * 50) print("Stage 3: Contrastive Encoder Training") print("=" * 50) dim = origs.shape[1] encoder = BuildingEncoder(dim, CFG['encoder_hidden'], CFG['encoder_dim']).to(device) opt = torch.optim.Adam(encoder.parameters(), lr=CFG['contrastive_lr']) # Interleave: [orig1, sib1, orig2, sib2, ...] n = len(origs) data = np.zeros((n * 2, dim), dtype=np.float32) data[0::2] = origs data[1::2] = sibs ds = TensorDataset(torch.FloatTensor(data)) dl = DataLoader(ds, batch_size=CFG['contrastive_batch'], shuffle=True) encoder.train() for ep in range(CFG['contrastive_epochs']): total = 0 for (xb,) in dl: xb = xb.to(device) emb = encoder(xb) loss = info_nce_loss(emb, CFG['contrastive_temp']) opt.zero_grad() loss.backward() opt.step() total += loss.item() * xb.shape[0] if (ep + 1) % 50 == 0: print(f" Epoch {ep+1}/{CFG['contrastive_epochs']} | Loss: {total/len(ds):.4f}") print(f" Done. Final loss: {total/len(ds):.4f}") return encoder # ============================================================ # Evaluation # ============================================================ @torch.no_grad() def eval_zero_shot(encoder, cand_vecs, index_vecs, labels, device, tag="Model"): """Zero-shot pair classification via cosine similarity""" encoder.eval() ct = torch.FloatTensor(cand_vecs).to(device) it = torch.FloatTensor(index_vecs).to(device) ce = encoder(ct).cpu().numpy() ie = encoder(it).cpu().numpy() # Cosine sim for each pair sims = np.sum(ce * ie, axis=1) # [N] # Sweep thresholds best_f1, best_thresh, best_res = 0, 0.5, None for th in CFG['eval_thresholds']: pred = (sims >= th).astype(np.int32) p = precision_score(labels, pred, zero_division=0) r = recall_score(labels, pred, zero_division=0) f = f1_score(labels, pred, zero_division=0) if f > best_f1: best_f1, best_thresh, best_res = f, th, (p, r, f) print(f"\n {tag} (best threshold={best_thresh:.2f}):") print(f" Precision: {best_res[0]:.4f}") print(f" Recall: {best_res[1]:.4f}") print(f" F1: {best_res[2]:.4f}") # Also AP score ap = average_precision_score(labels, sims) print(f" AvgPrecision: {ap:.4f}") return {'precision': best_res[0], 'recall': best_res[1], 'f1': best_res[2], 'ap': ap, 'threshold': best_thresh} def eval_real_only(cand_vecs, index_vecs, labels): """Baseline: raw property cosine similarity, no training""" # Normalize cn = cand_vecs / (np.linalg.norm(cand_vecs, axis=1, keepdims=True) + 1e-8) i_n = index_vecs / (np.linalg.norm(index_vecs, axis=1, keepdims=True) + 1e-8) sims = np.sum(cn * i_n, axis=1) best_f1, best_thresh, best_res = 0, 0.5, None for th in CFG['eval_thresholds']: pred = (sims >= th).astype(np.int32) p = precision_score(labels, pred, zero_division=0) r = recall_score(labels, pred, zero_division=0) f = f1_score(labels, pred, zero_division=0) if f > best_f1: best_f1, best_thresh, best_res = f, th, (p, r, f) ap = average_precision_score(labels, sims) print(f"\n Baseline Real-Only (best th={best_thresh:.2f}):") print(f" P={best_res[0]:.4f} R={best_res[1]:.4f} F1={best_res[2]:.4f} AP={ap:.4f}") return {'precision': best_res[0], 'recall': best_res[1], 'f1': best_res[2], 'ap': ap, 'threshold': best_thresh} # ============================================================ # Main # ============================================================ def main(): parser = argparse.ArgumentParser() parser.add_argument('--seed', type=int, default=1) parser.add_argument('--t0', type=int, default=200, help='SDEdit noise level') parser.add_argument('--skip_diff', action='store_true') parser.add_argument('--skip_enc', action='store_true') args = parser.parse_args() CFG['sdedit_t0'] = args.t0 device = CFG['device'] seed = args.seed print(f"Device: {device} | t0: {args.t0} | Seed: {seed}") # ---- Load data ---- X_train, train_ids, train_prop = load_all_train_vectors(seed) cand_vecs, idx_vecs, labels = load_test_pairs(seed) # Normalize (fit on train, apply to test) scaler = StandardScaler() X_train_s = scaler.fit_transform(X_train) cand_s = scaler.transform(cand_vecs) idx_s = scaler.transform(idx_vecs) # ---- Stage 1+2: Diffusion → Siblings ---- diff_path = f"saved_model_files/diff_idea3_s{seed}_t{args.t0}.pt" sib_path = f"saved_model_files/siblings_idea3_s{seed}_t{args.t0}.npz" if args.skip_diff and os.path.exists(diff_path): print(f"Loading cached diffusion model: {diff_path}") ck = torch.load(diff_path, map_location=device) model = MLPDiffusion(X_train_s.shape[1], CFG['diffusion_hidden'], CFG['diffusion_layers']).to(device) model.load_state_dict(ck['model']) sched = DiffusionScheduler(CFG['diffusion_steps']) sched.betas = sched.betas.to(device) sched.alphas = sched.alphas.to(device) sched.alpha_bars = sched.alpha_bars.to(device) else: model, sched = train_diffusion(X_train_s, device) torch.save({'model': model.state_dict()}, diff_path) if os.path.exists(sib_path): print(f"Loading cached siblings: {sib_path}") data = np.load(sib_path) origs, sibs = data['origs'], data['sibs'] else: origs, sibs = generate_siblings(model, sched, X_train_s, device) np.savez_compressed(sib_path, origs=origs, sibs=sibs) # ---- Stage 3: Contrastive Encoder ---- enc_path = f"saved_model_files/enc_idea3_s{seed}_t{args.t0}.pt" if args.skip_enc and os.path.exists(enc_path): print(f"Loading cached encoder: {enc_path}") ck = torch.load(enc_path, map_location=device) encoder = BuildingEncoder(X_train_s.shape[1], CFG['encoder_hidden'], CFG['encoder_dim']).to(device) encoder.load_state_dict(ck['encoder']) else: encoder = train_encoder(origs, sibs, device) torch.save({'encoder': encoder.state_dict()}, enc_path) # ---- Evaluation ---- print("\n" + "=" * 50) print("RESULTS") print("=" * 50) r_base = eval_real_only(cand_s, idx_s, labels) r_idea3 = eval_zero_shot(encoder, cand_s, idx_s, labels, device, f"Idea 3 (t0={args.t0})") print("\n" + "=" * 50) print(f"SUMMARY (seed={seed}, t0={args.t0})") print("=" * 50) print(f" Baseline (real-only): F1={r_base['f1']:.4f} AP={r_base['ap']:.4f}") print(f" Idea 3 (denoise-sib): F1={r_idea3['f1']:.4f} AP={r_idea3['ap']:.4f}") print(f" ΔF1: {r_idea3['f1'] - r_base['f1']:.4f} ΔAP: {r_idea3['ap'] - r_base['ap']:.4f}") return r_base, r_idea3 if __name__ == '__main__': main()